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Compound InformationSONAR Target prediction
Name:

BLEOMYCIN (bleomycin B2 shown)

Unique Identifier:SPE01503692
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C58H94N20O26S4
Molecular Weight:1521 g/mol
X log p:0.760999999999998  (online calculus)
Lipinksi Failures2
TPSA295.11
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:38
Rotatable Bond Count:43
Canonical Smiles:CCC1OC(OC(C(NC(=O)c2nc(nc(N)c2C)C(CC(N)=O)NCC(N)C(N)=O)C(=O)NC(C)C(O)C
(C)C(=O)NC(C(C)O)C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(N)=N)c2cncn2)C
(OC2OC(CO)C(O)C(OC(N)=O)C2O)C(C)C1C.OS(O)(=O)=O.OS(O)(=O)=O
Source:[Bleocin (TM) 3.5% Cu]; ex Streptomyces verticillis
Reference:Biorg Khim 21: 695 (1995)
Therapeutics:antineoplastic

Found: 113 active | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [113]
Species: 4932
Condition: ROT2
Replicates: 2
Raw OD Value: r im 0.0499±0.00282843
Normalized OD Score: sc h 0.0596±0.00325005
Z-Score: -44.4108±0.773206
p-Value: 0
Z-Factor: 0.897022
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2006-05-05 YYYY-MM-DD
Plate CH Control (+):0.03825±0.00246
Plate DMSO Control (-):0.814375±0.02354
Plate Z-Factor:0.8994
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 451 2 3 4 5 6 7 8 Next >> 
LAT007D08 0
LAT007C08 0
Prest1333 0
LAT007H08 0
SPE01505111 0
LOPAC 00756 0

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